[Pw_forum] The Number of iteraions

[vega lew]

Dear friend,

see these two parameters, nstep and electron_maxstep, for detail.

as far as I know, the default value many suitable for most of situations.
for specific purpose you can define it following the manual

hope helps

vega

On Wed, Mar 4, 2009 at 9:25 PM, Lorenzo Paulatto <paulatto at sissa.it> wrote:

> On Wed, 04 Mar 2009 14:20:21 +0100, 潘登 <panda.deng.pan at gmail.com>
> wrote:
> >   For a special scf run, and if I just want to run a few iteraion e.g
> > a give number like 10.How can I use the proper parameter to define it.
>
>
> dear Deng Pan,
> there are two different parameters, one is for electronic iterations, the
> other for ionic iterations. They are both in the documentation
> (electron_maxstep and nstep).
>
> cheers
>
>
>
>
> --
> Lorenzo Paulatto
> SISSA  &  DEMOCRITOS (Trieste)
> phone: +39 040 3787 511
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> www:   http://people.sissa.it/~paulatto/
>
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-- 
==================================================================================
Vega Lew ( weijia liu)
PH.D Candidate in Chemical Engineering
State Key Laboratory of Materials-oriented Chemical Engineering
College of Chemistry and Chemical Engineering
Nanjing University of Technology, 210009, Nanjing, Jiangsu, China
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Email: vegalew at gmail.com
Office: Room A705, Technical Innovation Building, Xinmofan Road 5#, Nanjing,
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